[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(oxolan-2-ylmethoxy)benzoate

Systemtic Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(oxolan-2-ylmethoxy)benzoate Openeye Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 2-(2-oxolanylmethoxy)benzoic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(oxolan-2-ylmethoxy)benzoate Traditional Name: 2-(tetrahydrofurfuryloxy)benzoic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H29NO7 MolecularWeight: 455.50026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)COC(=O)C3=CC=CC=C3OCC4CCCO4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)COC(=O)C3=CC=CC=C3OCC4CCCO4)OC

InChI

InChI=1S/C25H29NO7/c1-29-22-12-17-9-10-26(14-18(17)13-23(22)30-2)24(27)16-33-25(28)20-7-3-4-8-21(20)32-15-19-6-5-11-31-19/h3-4,7-8,12-13,19H,5-6,9-11,14-16H2,1-2H3